2-[octadecyl-(4-oxidanyl-4-oxidanylidene-butanoyl)amino]butanedioic acid; sulfur dioxide

Systemtic Name: 2-[octadecyl-(4-oxidanyl-4-oxidanylidene-butanoyl)amino]butanedioic acid; sulfur dioxide Openeye Name: 2-[(4-hydroxy-4-oxo-butanoyl)-octadecyl-amino]butanedioic acid; sulfur dioxide CAS Name: 2-[(4-hydroxy-1,4-dioxobutyl)-octadecylamino]butanedioic acid; sulfur dioxide IUPAC Name: 2-[(4-hydroxy-4-oxobutanoyl)-octadecylamino]butanedioic acid; sulfur dioxide Traditional Name: 2-[(4-hydroxy-4-keto-butanoyl)-stearyl-amino]succinic acid; sulfur dioxide Formula: C26H47NO9S MolecularWeight: 549.71768

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(C(CC(=O)O)C(=O)O)C(=O)CCC(=O)O.O=S=O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(C(CC(=O)O)C(=O)O)C(=O)CCC(=O)O.O=S=O

InChI

InChI=1S/C26H47NO7.O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-27(23(28)18-19-24(29)30)22(26(33)34)21-25(31)32;1-3-2/h22H,2-21H2,1H3,(H,29,30)(H,31,32)(H,33,34);